Karthikeyan Ammasai, Ebenezer Samuel, Muthiah Packianathan Thomas
School of Chemistry, Bharathidasan University, Tiruchirappalli 620 024, Tamilnadu, India.
Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 30;66(Pt 12):m1693. doi: 10.1107/S1600536810049305.
In the title complex, [ZnBr(2)(C(4)H(5)N(3)O)(2)], the central metal ion is coordinated to two bromide ions and endocyclic N atoms of the two cytosine mol-ecules leading to a distorted tetra-hedral geometry. The structure is isotypic with [CdBr(2)(C(4)H(5)N(3)O)(2)] [Muthiah et al. (2001). Acta Cryst. E57, m558-m560]. There are two inter-ligand N-H⋯Br hydrogen bonds, generating two hydrogen-bonded rings stabilizing the coordination sphere. The complex aggregates, forming supra-molecular chains, sheets and staircases through N-H⋯O and N-H⋯Br hydrogen bonding and π-π stacking inter-actions [centroid-centroid distance = 3.616 (2) Å].
在标题配合物[ZnBr₂(C₄H₅N₃O)₂]中，中心金属离子与两个溴离子以及两个胞嘧啶分子的内环氮原子配位，形成扭曲的四面体几何构型。该结构与[CdBr₂(C₄H₅N₃O)₂] [穆西亚等人（2001年）。《晶体学报》E57卷，m558 - m560页] 同型。存在两个配体间的N - H⋯Br氢键，形成两个氢键环，稳定了配位球。该配合物通过N - H⋯O和N - H⋯Br氢键以及π - π堆积相互作用[质心 - 质心距离 = 3.616 (2) Å]聚集，形成超分子链、片层和阶梯状结构。
